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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2,8-Dihydroxy-3,7,11-trimethyl-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecane-4,13-dione
|
296.31
|
-0.3
|
2
|
6
|
93.06
|
0
|
|
|
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
811.00
|
3.3
|
9
|
15
|
253.13
|
8
|
|
|
4-Oxononanal
|
156.22
|
1.2
|
0
|
2
|
34.14
|
7
|
|
|
2-Hydroxytetradecanoic acid
|
244.37
|
5.3
|
2
|
3
|
57.53
|
12
|
|
|
14-Deoxylactucin
|
260.28
|
0.5
|
1
|
4
|
63.6
|
0
|
|
|
[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 13-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
967.00
|
-2.8
|
14
|
23
|
374.13
|
13
|
|
|
[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 13-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
|
1129.20
|
-4.4
|
17
|
28
|
453.28
|
16
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1207.30
|
-1.3
|
15
|
26
|
412.82
|
14
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1207.30
|
-1.3
|
15
|
26
|
412.82
|
14
|
|
|
(1S,13S,14Z,19S,21S)-14-(2-hydroxyethylidene)-16-oxido-8-aza-16-azoniahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
|
350.40
|
-0.1
|
1
|
3
|
63.6
|
1
|
|
|
((1S,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine
|
285.50
|
5.4
|
1
|
1
|
26.02
|
2
|
|
|
Decussine
|
301.40
|
3.3
|
0
|
2
|
21.06
|
0
|
|
|
4H-1-Benzopyran-4-one, 8-(2,5-dihydro-5,5-dimethyl-2-oxo-3-furanyl)-7-methoxy-2-phenyl-
|
362.40
|
3.7
|
0
|
5
|
65.74
|
3
|
|
|
Pseudosemiglabrin
|
392.40
|
3.3
|
0
|
6
|
74.97
|
3
|
|
|
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one;chloride
|
337.80
|
|
1
|
2
|
41.67
|
0
|
|
|
Dehydroevidiamine
|
302.30
|
2.9
|
1
|
1
|
41.67
|
0
|
|
|
(3R,5S)-1-(4-hydroxy-3-methoxyphenyl)dodecane-3,5-diol
|
324.50
|
4
|
3
|
4
|
69.92
|
12
|
|
|
[8]-Gingerdiol
|
408.50
|
5.8
|
1
|
6
|
82.06
|
16
|
|
|
[3-Acetyloxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-5-yl] acetate
|
436.60
|
6.9
|
1
|
6
|
82.06
|
18
|
|
|
[(3R,5S)-3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-5-yl] acetate
|
436.60
|
6.9
|
1
|
6
|
82.06
|
18
|
|
|
2-(1,4-Dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid
|
338.30
|
3.1
|
2
|
6
|
100.9
|
3
|
|
|
Naproxen
|
230.26
|
3.3
|
1
|
3
|
46.53
|
3
|
|
|
Celerin
|
260.28
|
3.5
|
1
|
4
|
59.67
|
3
|
|
|
Olean-12-ene-3,16-diol, 28,29-epoxy-29-methoxy-, (3beta,16alpha,20beta)-
|
486.70
|
5.8
|
2
|
4
|
58.92
|
1
|
|
|
1-Ethyl-2-methylnaphthalene
|
170.25
|
4.7
|
0
|
0
|
0
|
1
|
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